1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide

C19H24ClN3O3 — CID 138995811

IUPAC1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(O)C1CC1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H24ClN3O3/c1-22(11-16(24)12-2-3-12)19(25)13-6-8-23(9-7-13)18-15-10-14(20)4-5-17(15)26-21-18/h4-5,10,12-13,16,24H,2-3,6-9,11H2,1H3
InChIKeyLXHYDNRROBSGAX-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.93
Rot. Bonds5

About 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide

1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 138995811) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
PubChem CID138995811
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(O)C1CC1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H24ClN3O3/c1-22(11-16(24)12-2-3-12)19(25)13-6-8-23(9-7-13)18-15-10-14(20)4-5-17(15)26-21-18/h4-5,10,12-13,16,24H,2-3,6-9,11H2,1H3
InChIKeyLXHYDNRROBSGAX-UHFFFAOYSA-N
XLogP2.93
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,2-benzoxazol-3-yl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
CID 138997045
2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 172851850
[4-[(5-chloro-1,2-benzoxazol-3-yl)methyl-methylamino]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 171336353
1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide
CID 108793914
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
2-[4-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(4-propan-2-yloxycyclohexyl)acetamide
CID 172764471
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-chloro-1,2-benzoxazol-3-yl)methyl]-1-cyclopropylurea
CID 176708322
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55687111
N-[2-(4-chlorophenoxy)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 55375928
3-[(5-chloro-1,2-benzoxazol-3-yl)methyl]-1-cyclopropyl-1-(1-propanoylpiperidin-3-yl)urea
CID 176708213
methyl (3R)-3-[(5-chloro-1,2-benzoxazol-3-yl)methylcarbamoyl-cyclopropylamino]piperidine-1-carboxylate
CID 176708245

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (CID 138995811) is 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide is CN(CC(O)C1CC1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LXHYDNRROBSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-22(11-16(24)12-2-3-12)19(25)13-6-8-23(9-7-13)18-15-10-14(20)4-5-17(15)26-21-18/h4-5,10,12-13,16,24H,2-3,6-9,11H2,1H3.
What are the key properties of 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,2-benzoxazol-3-yl)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138995811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).